25 research outputs found
Doping-dependent study of the periodic Anderson model in three dimensions
We study a simple model for -electron systems, the three-dimensional
periodic Anderson model, in which localized states hybridize with
neighboring states. The states have a strong on-site repulsion which
suppresses the double occupancy and can lead to the formation of a Mott-Hubbard
insulator. When the hybridization between the and states increases, the
effects of these strong electron correlations gradually diminish, giving rise
to interesting phenomena on the way. We use the exact quantum Monte-Carlo,
approximate diagrammatic fluctuation-exchange approximation, and mean-field
Hartree-Fock methods to calculate the local moment, entropy, antiferromagnetic
structure factor, singlet-correlator, and internal energy as a function of the
hybridization for various dopings. Finally, we discuss the relevance of
this work to the volume-collapse phenomenon experimentally observed in
f-electron systems.Comment: 12 pages, 8 figure
Screened-interaction expansion for the Hubbard model and determination of the quantum Monte Carlo Fermi surface
We develop a systematic self-consistent perturbative expansion for the self
energy of Hubbard-like models. The interaction lines in the Feynman diagrams
are dynamically screened by the charge fluctuations in the system. Although the
formal expansion is exact-assuming that the model under the study is
perturbative-only if diagrams to all orders are included, it is shown that for
large-on-site-Coulomb-repulsion-U systems weak-coupling expansions to a few
orders may already converge. We show that the screened interaction for the
large-U system can be vanishingly small at a certain intermediate electron
filling; and it is found that our approximation for the imaginary part of the
one-particle self energy agrees well with the QMC results in the low energy
scales at this particular filling. But, the usefulness of the approximation is
hindered by the fact that it has the incorrect filling dependence when the
filling deviates from this value. We also calculate the exact QMC Fermi
surfaces for the two-dimensional (2-D) Hubbard model for several fillings. Our
results near half filling show extreme violation of the concepts of the band
theory; in fact, instead of growing, Fermi surface vanishes when doped toward
the half-filled Mott-Hubbard insulator. Sufficiently away from half filling,
noninteracting-like Fermi surfaces are recovered. These results combined with
the Luttinger theorem might show that diagrammatic expansions for the
nearly-half-filled Hubbard model are unlikely to be possible; however, the
nonperturbative part of the solution seems to be less important as the filling
gradually moves away from one half. Results for the 2-D one-band Hubbard model
for several hole dopings are presented. Implications of this study for the
high-temperature superconductors are also discussed.Comment: 11 pages, 12 eps figures embedded, REVTeX, submitted to Phys. Rev. B;
(v2) minor revisions, scheduled for publication on November 1
Understanding High-Temperature Superconductors with Quantum Cluster Theories
Quantum cluster theories are a set of approaches for the theory of correlated
and disordered lattice systems, which treat correlations within the cluster
explicitly, and correlations at longer length scales either perturbatively or
within a mean-field approximation. These methods become exact when the cluster
size diverges, and most recover the corresponding (dynamical) mean-field
approximation when the cluster size becomes one. Here we will review systematic
dynamical cluster simulations of the two-dimensional Hubbard model, that
display phenomena remarkably similar to those found in the cuprates, including
antiferromagnetism, superconductivity and pseudogap behavior. We will then
discuss results for the structure of the pairing mechanism in this model,
obtained from a combination of dynamical cluster results and diagrammatic
techniques.Comment: 8 pages, 12 figures; submitted to proceedings of M2S-HTSC VIII,
Dresden 200
Slave-Boson Three-Band Model with O-O Hopping for High-Tc Superconductors
Slave boson mean-field approximation is carried out analytically for weakly
doped CuO_2 conduction planes, characterized by Cu-O charge transfer energy
\Delta_{pd}, Cu-O hopping t_0, O-O hopping t' and repulsion U_d between holes
on Cu site taken as infinite. At zero doping \delta, finite negative
t',|t'|<t_0/2, expands the range of stability of the covalent, conducting state
on the expense of the insulating state which, however, remains stable at larger
\Delta_{pd}. For sufficiently large \Delta_{pd} the renormalized charge
transfer energy saturates at 4|t'| instead of decreasing to zero, as at t'=0
case. In contrast to t', finite \delta suppresses the insulating state nearly
symmetrically with respect to the sign of \delta. The regime with charge
transfer energy renormalized close to 4|t'| fits remarkably well the ARPES
spectra of Bi2212 and LSCO, and, in the latter case, explains the observed
strong doping dependence of the Cu-O hopping.Comment: 4 pages, 2 figure
About the role of 2D screening in High Temperature Superconductivity
The 2D screening is investigated in a simple single band square tight-binding
model which qualitatively resembles the known electronic structure in high
temperature superconductors. The Coulomb kernel for the two particle
Bethe-Salpeter equation in the single loop (RPA) approximation for the
polarization can be evaluated in a strong tight binding limit. The results
indicate an intense screening of the Coulomb repulsion between the particles,
which becomes stronger and anisotropic when the Fermi level approach half
filling (or equivalently, when the Fermi surface approach the Van Hove
singularities) and rapidly decreases away it. The effect is also more
pronounced for quasi-momenta regions near the corners of the Brillouin cell,
which correspond to dual spatial distances of the order few unit cells.
Therefore, a possible mechanism is identified which could explain the existence
of extremely small Cooper pairs in these materials, as bounded anisotropic
composites joined by residual super-exchange or phonon interactions.Comment: 16 pages, 4 figures, presented in the " Conference on Strongly
Interacting Systems at the Nanoscale", ICTP, Trieste, Italy (8-12 August
2005
A planar extrapolation of the correlation problem that permits pairing
It was observed previously that an SU(N) extension of the Hubbard model is
dominated, at large N, by planar diagrams in the sense of 't Hooft, but the
possibility of superconducting pairing got lost in this extrapolation. To allow
for this possibility, we replace SU(N) by U(N,q), the unitary group in a vector
space of quaternions. At the level of the free energy, the difference between
the SU(N)and U(N,q) extrapolations appears only to first nonleading order in N.Comment: 8 pages, 2 figure
Screened-interaction expansion for the Hubbard model and determination of the quantum Monte Carlo Fermi surface
We develop a systematic self-consistent perturbative expansion for the self-energy of Hubbard-like models. The interaction lines in the Feynman diagrams are dynamically screened by the charge fluctuations in the system. Although the formal expansion is exact-assuming that the model under the study is perturbativeonly if diagrams to all orders are included, it is shown that for large-on-site-Coulomb-repulsion-U systems weak-coupling expansions to a few orders may already converge. In order to test the approximation at intermediate-to-high temperatures, we use the exact charge-fluctuation susceptibility from quantum Monte Carlo ͑QMC͒ simulation studies as input, which determines the exact screened interaction, and compare our results for the self-energy to the QMC results. We also make comparisons with fluctuation-exchange approximation. We show that the screened interaction for the large-U system can be vanishingly small at a certain intermediate electron filling, and it is found that our approximation for the imaginary part of the one-particle self-energy agrees well with the QMC results in the low-energy scales at this particular filling. But the usefulness of the approximation is hindered by the fact that it has the incorrect filling dependence when the filling deviates from this value. We also calculate the exact QMC Fermi surfaces for the two-dimensional ͑2D͒ Hubbard model for several fillings. Our results near half filling show extreme violation of the concepts of the band theory; in fact, instead of growing, the Fermi surface vanishes when doped toward the half-filled MottHubbard insulator. Sufficiently away from half filling, noninteractinglike Fermi surfaces are recovered. These results combined with the Luttinger theorem might show that diagrammatic expansions for the nearly-halffilled Hubbard model are unlikely to be possible; however, the nonperturbative part of the solution seems to be less important as the filling gradually moves away from one half. Results for the 2D one-band Hubbard model for several hole dopings are presented. Implications of this study for the high-temperature superconductors are also discussed
A crib-shaped triplet pairing gap function for an orthogonal pair of quasi-one dimensional Fermi surfaces in SrRuO
The competition between spin-triplet and singlet pairings is studied
theoretically for the tight-binding - bands in SrRuO,
which arise from two sets of quasi-one dimensional Fermi surfaces. Using
multiband FLEX approximation, where we incorporate an anisotropy in the spin
fluctuations as suggested from experiments, we show that (i) the triplet can
dominate over the singlet (which turns out to be extended s), and (ii) the
triplet gap function optimized in the Eliashberg equation has an unusual, very
non-sinusoidal form, whose time-reversal-broken combination exhibits a
crib-shaped amplitude with dips.Comment: 5 pages, RevTeX, to appear in Phys.Rev.B (Rapid Communications
Fluctuation Exchange Analysis of Superconductivity in the Standard Three-Band CuO2 Model
The fluctuation exchange, or FLEX, approximation for interacting electrons is
applied to study instabilities in the standard three-band model for CuO2 layers
in the high-temperature superconductors. Both intra-orbital and near-neigbor
Coulomb interactions are retained. The filling dependence of the d(x2-y2)
transition temperature is studied in both the "hole-doped" and "electron-doped"
regimes using parameters derived from constrained-occupancy density-functional
theory for La2CuO4. The agreement with experiment on the overdoped hole side of
the phase diagram is remarkably good, i.e., transitions emerge in the 40 K
range with no free parameters. In addition the importance of the "orbital
antiferromagnetic," or flux phase, charge density channel is emphasized for an
understanding of the underdoped regime.Comment: REVTex and PostScript, 31 pages, 26 figures; to appear in Phys. Rev.
B (1998); only revised EPS figures 3, 4, 6a, 6b, 6c, 7 and 8 to correct
disappearance of some labels due to technical problem
Theory of Spin Fluctuation-Induced Superconductivity Based on a d-p Model. II. -Superconducting State-
The superconducting state of a two-dimensional d-p model is studied from the
spin fluctuation point of view by using a strong coupling theory. The
fluctuation exchange (FLEX) approximatoin is employed to calculate the spin
fluctuations and the superconducting gap functions self-consistently in the
optimal- and over-doped regions of hole concentration. The gap function has a
symmetry of d_{x^2 - y^2} type and develops below the transition temperature
T_c more rapidly than in the BCS model. Its saturation value at the maximum is
about 10 T_c. When the spin fluctuation-induced superconductivity is well
stabilized at low temperatures in the optimal regime, the imaginary part of the
antiferromagnetic spin susceptibility shows a very sharp resonance peak
reminiscent of the 41 meV peak observed in the neutron scattering experiment on
YBCO. The one-particle spectral density around k=(pi,0) shows sharp
quasi-particle peaks followed by dip and hump structures bearing resemblance to
the features observed in the angle-resolved photoemission experiment. With
increasing doping concentration these features gradually disappear.Comment: 13 pages(LaTeX), 20 eps figure